![2-(5,7-Dimethyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester](/api/spectrum/Fng9aUTYrY3/structure.png?h=300&w=458 "2-(5,7-Dimethyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester")
| SpectraBase Compound ID | 7noOW2SCzW0 |
|---|---|
| InChI | InChI=1S/C13H11F3O3S/c1-6-4-7(2)10-8(5-6)20-12(19-10)9(11(17)18-3)13(14,15)16/h4-5H,1-3H3/b12-9+ |
| InChIKey | DHXLTOMAUJNWCT-FMIVXFBMSA-N |
| Mol Weight | 304.28 g/mol |
| Molecular Formula | C13H11F3O3S |
| Exact Mass | 304.0381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fng9aUTYrY3 |
|---|---|
| Name | 2-(5,7-Dimethyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11F3O3S |
| InChI | InChI=1S/C13H11F3O3S/c1-6-4-7(2)10-8(5-6)20-12(19-10)9(11(17)18-3)13(14,15)16/h4-5H,1-3H3/b12-9+ |
| InChIKey | DHXLTOMAUJNWCT-FMIVXFBMSA-N |
| Molecular Weight | 304.283 g/mol |
| SMILES | COC(\C(=C/1Sc2c(O1)c(cc(c2)C)C)C(F)(F)F)=O |
| SPLASH | splash10-0ukd-8973000000-3d612e89723a3d6498c1 |
| Synonyms | (2E)-2-(5,7-dimethyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester (2E)-2-(5,7-dimethyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoic acid methyl ester Methyl (2E)-2-(5,7-dimethyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propanoate Methyl (2E)-2-(5,7-dimethyl-1,3-benzoxathiol-2-ylidene)-3,3,3-tris(fluoranyl)propanoate Methyl 2-(5,7-dimethyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate |
| Wiley ID | 1463107 |